2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 2-[(4-methylphenyl)sulfonylamino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-2-(tosylamino)propionic acid Formula: C15H22N2O6S MolecularWeight: 358.40998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C15H22N2O6S/c1-10-5-7-11(8-6-10)24(21,22)17-12(13(18)19)9-16-14(20)23-15(2,3)4/h5-8,12,17H,9H2,1-4H3,(H,16,20)(H,18,19)